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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required1-Jul-2019/dispersion/Cu_15/Eooh dispersion_Cu-15-OOH-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1504.5492823; Eh
Login required1-Jul-2019/dispersion/Cu_15/Eoh dispersion_Cu-15-OH-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1429.3983425; Eh
Login required1-Jul-2019/dispersion/Cu_15/Eo dispersion_Cu-15-OCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1428.7151615; Eh
Login required1-Jul-2019/dispersion/Mn_10/Eooh dispersion_Mn-10-OOH-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1417.7673464; Eh
Login required1-Jul-2019/dispersion/Ru_8/Evac dispersion_Ru-8-VAC-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-2320.9607824; Eh
Login required1-Jul-2019/dispersion/Mn_10/Evac dispersion_Mn-10-VAC-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1266.8104597; Eh
Login required1-Jul-2019/dispersion/Ru_8/Eooh dispersion_Ru-8-OOH-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-2471.9277341; Eh
Login required1-Jul-2019/dispersion/Mn_10/Eoh dispersion_Mn-10-OHb-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1342.6267394; Eh
Login required1-Jul-2019/dispersion/Ru_8/Eoh dispersion_Ru-8-OH-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-2396.7805033; Eh
Login required1-Jul-2019/dispersion/Ru_7/Eooh dispersion_Ru-7-OOH-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1860.2314288; Eh
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